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This commit is contained in:
Emmanuel Giner 2017-04-14 19:09:50 +02:00
parent 59cb6c4402
commit 04bb08be96
1 changed files with 8 additions and 0 deletions
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src/MO_Basis/rotate_mos.irp.f Normal file
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program rotate
implicit none
integer :: iorb,jorb
print*, 'which mos would you like to rotate'
read(5,*)iorb,jorb
call mix_mo_jk(iorb,jorb)
call save_mos
end